32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=499549.45465760154 stress="-1918526.948541639 441875.2347152643 -13859.502733864821 441875.2347152643 -2021124.2536697478 -90907.3269329213 -13859.502733864821 -90907.3269329213 -2149430.0782127874" pbc="F F F" Tb 0.44796936 -0.10977689 0.03266688 -29161.11204984 -27543.57008293 -43457.36971147 Tb 1.31727432 1.68240831 0.28369089 90150.86786856 -76483.76270713 -206523.78650151 Tb 1.39179870 0.01316614 1.69482349 48570.10236777 -132199.34034761 -100277.52456082 Tb 0.12854416 1.43455696 1.55806062 -148836.91577183 -14792.30812225 41898.71105849 Tb 3.28242914 0.18191582 0.09514274 -62537.71592923 -3931.15845338 -66632.34583859 Tb 4.67075861 1.68869181 0.14558284 59365.28962650 -91042.34500741 -80257.33864657 Tb 4.51256627 -0.20947181 1.38088178 63449.74636790 -29384.21602780 51273.28004483 Tb 3.24396709 1.51862989 1.72676727 81574.58264097 56800.22451022 -149854.96319534 Tb -0.05545002 2.83877027 -0.18762718 -50615.63361207 26689.99560552 -37401.75127496 Tb 1.61162743 4.68663937 0.28767684 53873.43767292 26176.60813881 -51748.87859644 Tb 1.78945842 2.54420745 1.70546252 -105515.36974247 110951.05640686 23318.53181234 Tb 0.20486581 4.14481365 1.31130253 -66171.74079776 25506.22563055 6586.86086186 Tb 3.16685639 2.90020232 -0.19375096 -43120.57852131 16612.72298778 -40319.73813502 Tb 4.52924486 4.69388095 0.30354448 27558.73322707 30864.21427042 -42085.26784228 Tb 4.40765244 3.01751168 1.27992834 31255.91692745 79795.05294268 95533.51897225 Tb 3.21063884 4.77470707 1.72850138 -37991.34233313 32639.25543924 -34214.96483268 Tb -0.27932565 -0.11384469 3.22401144 -55017.31650136 -71358.39796455 -18567.36121155 Tb 1.23176624 1.00431485 3.09995876 73677.34036357 138139.66060140 -33105.60258357 Tb 1.28516035 0.29841474 4.69829562 41432.31393648 -95274.75056820 146563.75072265 Tb -0.06648893 1.50148145 4.21557547 -116806.90767000 88616.28588508 85148.28431461 Tb 3.01545457 0.29725379 2.86748887 11485.02640835 -211143.21083254 108229.19752514 Tb 4.73195113 1.81854900 3.07458145 36242.23182283 -6684.31828999 4320.63096292 Tb 4.24156639 0.24612897 4.71106251 34560.71530775 -35283.09870725 19557.84577796 Tb 2.96748744 1.56289481 4.22440557 85176.27804633 -67446.29251801 39405.58819159 Tb -0.01137449 2.95714072 2.74391021 -23339.46393837 5610.30882320 57290.03010173 Tb 1.57768054 4.62291171 2.75564670 -24494.26503396 17532.07722566 28015.17645959 Tb 1.76808415 2.77736375 4.41967623 -138152.65574121 117206.58360547 54061.26382882 Tb 0.32958722 4.70530001 4.67684617 -3284.97997563 2092.86314576 3919.40603953 Tb 2.93827645 3.05222706 2.91510780 96511.88614921 66556.08704774 70511.73972023 Tb 4.60729311 4.45490921 2.89772133 61338.91119556 4225.15315738 35493.31574984 Tb 4.25645487 3.20110323 4.61185696 166462.86518335 -198079.48202435 19754.25186057 Tb 3.25746923 4.52998750 4.63873193 -157640.24749442 214631.87622963 13565.50892586